azepan-1-yl-[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[5-methyl-4-(p-tolylsulfonylmethyl)oxazol-2-yl]phenyl]methanone CAS Name: 1-azepanyl-[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-2-oxazolyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[5-methyl-4-(tosylmethyl)oxazol-2-yl]phenyl]methanone Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H28N2O4S/c1-18-7-13-22(14-8-18)32(29,30)17-23-19(2)31-24(26-23)20-9-11-21(12-10-20)25(28)27-15-5-3-4-6-16-27/h7-14H,3-6,15-17H2,1-2H3